Diffusion of helical particles in the screw-like nematic phase

The mechanism of diffusion of helical particles in the new screw-like nematic phase is studied by molecular dynamics numerical simulation. Several dynamical indicators are reported that evidence and microscopically characterise the special translo-rotational motion by which helical particles move in this chiral liquid-crystalline phase. Besides mean square displacements and diffusion coefficients resolved parallel and perpendicular to the nematic director, a suitable translo-rotational van Hove self-correlation function and a sequence of translational and rotational velocity, self- and distinct-, time correlation functions are calculated. The analysis of all these correlation functions elicits the operativeness of the aforementioned coupled mechanism and allows its short- and long-time quantitative characterisation.